1-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazino]-3-nitro-phenyl]ethanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCOC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-16(25)17-3-8-20(21(15-17)24(26)27)23-11-9-22(10-12-23)13-14-29-19-6-4-18(28-2)5-7-19/h3-8,15H,9-14H2,1-2H3